≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)C(=O)O)C#CC5=CC=C(C=C5)C(=O)O |
|---|---|
| IUPAC Name | 4-[2-[10-[2-(4-carboxyphenyl)ethynyl]anthracen-9-yl]ethynyl]benzoic acid |
| InChIKey | MPEUYAFVSNLHNG-UHFFFAOYSA-N |
| INCHI | 1S/C32H18O4/c33-31(34)23-15-9-21(10-16-23)13-19-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)20-14-22-11-17-24(18-12-22)32(35)36/h1-12,15-18H,(H,33,34)(H,35,36) |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)C(=O)O)C#CC5=CC=C(C=C5)C(=O)O |
| Molecular Weight | 444.48 |
| Reaxy-Rn | 24583440 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24583440&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Anthracenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthracenes |
| Alternative Parents | Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Anthracene - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 466.500 g/mol |
|---|---|
| XLogP3 | 7.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 466.121 Da |
| Monoisotopic Mass | 466.121 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 838.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
